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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (2R,7S)-4'-bromo-5-methyl-2-(phenoxymethyl)-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[3,6-dihydro- (2R,7S)-4'-bromo-5-methyl-2-(phe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.33 16.03 -9.87 0 4 0 39 572.421 6 ↓

Analogs

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Popular Name: (2S,7S)-4'-bromo-5-methyl-2-(phenoxymethyl)-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[3,6-dihydro- (2S,7S)-4'-bromo-5-methyl-2-(phe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.33 15.72 -9.19 0 4 0 39 572.421 6 ↓

Analogs

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Popular Name: (2R,7R)-4'-bromo-5-methyl-2-(phenoxymethyl)-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[3,6-dihydro- (2R,7R)-4'-bromo-5-methyl-2-(phe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.33 15.73 -9.79 0 4 0 39 572.421 6 ↓

Analogs

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Popular Name: (2R,7S)-1'-[(4-fluorophenyl)methyl]-5-methyl-2-(phenoxymethyl)spiro[3,6-dihydro-2H-oxepine-7,3'-indo (2R,7S)-1'-[(4-fluorophenyl)meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.89 14.28 -11.85 0 4 0 39 443.518 5 ↓

Analogs

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Popular Name: (2S,7S)-1'-[(4-fluorophenyl)methyl]-5-methyl-2-(phenoxymethyl)spiro[3,6-dihydro-2H-oxepine-7,3'-indo (2S,7S)-1'-[(4-fluorophenyl)meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.89 14.24 -9.6 0 4 0 39 443.518 5 ↓

Analogs

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Popular Name: (2R,7R)-1'-[(4-fluorophenyl)methyl]-5-methyl-2-(phenoxymethyl)spiro[3,6-dihydro-2H-oxepine-7,3'-indo (2R,7R)-1'-[(4-fluorophenyl)meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.89 14.06 -9.99 0 4 0 39 443.518 5 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.89 14.86 -13.88 0 6 0 65 483.564 7 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.89 14.82 -11.9 0 6 0 65 483.564 7 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.89 14.64 -12.18 0 6 0 65 483.564 7 ↓

Analogs

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Popular Name: (2R,7S)-5-methyl-2-(phenoxymethyl)-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[3,6-dihydro-2H-oxepin (2R,7S)-5-methyl-2-(phenoxymethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.57 15.5 -10.47 0 4 0 39 493.525 6 ↓

Analogs

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Popular Name: (2S,7S)-5-methyl-2-(phenoxymethyl)-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[3,6-dihydro-2H-oxepin (2S,7S)-5-methyl-2-(phenoxymethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.57 15.55 -8.54 0 4 0 39 493.525 6 ↓

Analogs

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Popular Name: (2R,7R)-5-methyl-2-(phenoxymethyl)-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[3,6-dihydro-2H-oxepin (2R,7R)-5-methyl-2-(phenoxymethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.57 15.29 -10.09 0 4 0 39 493.525 6 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.66 15.41 -14.39 0 6 0 65 562.46 7 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.66 15.14 -13.68 0 6 0 65 562.46 7 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.66 15.07 -13.2 0 6 0 65 562.46 7 ↓

Analogs

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Popular Name: (2R,7S)-4'-bromo-1'-[(4-fluorophenyl)methyl]-5-methyl-2-(phenoxymethyl)spiro[3,6-dihydro-2H-oxepine- (2R,7S)-4'-bromo-1'-[(4-fluoroph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.65 14.83 -12.33 0 4 0 39 522.414 5 ↓

Analogs

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Popular Name: (2S,7S)-4'-bromo-1'-[(4-fluorophenyl)methyl]-5-methyl-2-(phenoxymethyl)spiro[3,6-dihydro-2H-oxepine- (2S,7S)-4'-bromo-1'-[(4-fluoroph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.65 14.57 -11.42 0 4 0 39 522.414 5 ↓

Analogs

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Popular Name: (2R,7R)-4'-bromo-1'-[(4-fluorophenyl)methyl]-5-methyl-2-(phenoxymethyl)spiro[3,6-dihydro-2H-oxepine- (2R,7R)-4'-bromo-1'-[(4-fluoroph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.65 14.49 -11.14 0 4 0 39 522.414 5 ↓

Analogs

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Popular Name: (2R,7S)-1'-[(4-bromophenyl)methyl]-5-methyl-2-(phenoxymethyl)spiro[3,6-dihydro-2H-oxepine-7,3'-indol (2R,7S)-1'-[(4-bromophenyl)methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.53 14.84 -11.2 0 4 0 39 504.424 5 ↓

Analogs

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Popular Name: (2S,7S)-1'-[(4-bromophenyl)methyl]-5-methyl-2-(phenoxymethyl)spiro[3,6-dihydro-2H-oxepine-7,3'-indol (2S,7S)-1'-[(4-bromophenyl)methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.53 14.8 -8.86 0 4 0 39 504.424 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,7R)-1'-[(4-bromophenyl)methyl]-5-methyl-2-(phenoxymethyl)spiro[3,6-dihydro-2H-oxepine-7,3'-indol (2R,7R)-1'-[(4-bromophenyl)methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.53 14.62 -9.4 0 4 0 39 504.424 5 ↓

Analogs

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Popular Name: (2R,7S)-4'-bromo-1'-[(4-bromophenyl)methyl]-5-methyl-2-(phenoxymethyl)spiro[3,6-dihydro-2H-oxepine-7 (2R,7S)-4'-bromo-1'-[(4-bromophe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.29 15.39 -11.64 0 4 0 39 583.32 5 ↓

Analogs

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Popular Name: (2S,7S)-4'-bromo-1'-[(4-bromophenyl)methyl]-5-methyl-2-(phenoxymethyl)spiro[3,6-dihydro-2H-oxepine-7 (2S,7S)-4'-bromo-1'-[(4-bromophe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.29 15.13 -10.74 0 4 0 39 583.32 5 ↓

Analogs

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Popular Name: (2R,7R)-4'-bromo-1'-[(4-bromophenyl)methyl]-5-methyl-2-(phenoxymethyl)spiro[3,6-dihydro-2H-oxepine-7 (2R,7R)-4'-bromo-1'-[(4-bromophe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.29 15.04 -10.38 0 4 0 39 583.32 5 ↓

Parameters Provided:

ring.id = 471448
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 471448 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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